Compound Identification
SMILES
CC1=NN(C(=O)\C1=N/NC1=CC(=C(C)C=C1)[N+]([O-])=O)C1=NC(=CS1)C1=CC=CC=C1
InChIKey
InChIKey=ORCUAQQCJFNNGJ-NKFKGCMQSA-N
Formula
C20H16N6O3S
Mass
420.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitrotoluenes Phenylhydrazines Nitroaromatic compounds 2,4-disubstituted thiazoles Pyrazolones Heteroaromatic compounds Hydrazones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Phenylhydrazine - 2,4-disubstituted 1,3-thiazole - Toluene - Pyrazolinone - Azole - Pyrazoline - Heteroaromatic compound - Thiazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Hydrazone - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available